(4-ethoxy-3-nitro-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-3-28-20-9-8-17(14-19(20)24(26)27)21(25)23-12-10-22(11-13-23)15-18-7-5-4-6-16(18)2/h4-9,14H,3,10-13,15H2,1-2H3/p+1